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| Stem definition | Drug id | CAS RN |
|---|---|---|
| anti-inflammatory, indometacin derivatives | 2280 | 57132-53-3 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AKT2,AKT3,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK2,MAP3K7,MAPK10,MAPK12,MAPK7,MAPKAPK2,MET,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,TEK,TTK | 38 | |||
| kinase-selectivity-class | AXL,BRAF,GRK2,PDK4,SIK2,STK33 | 6 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | M01AB14 | MUSCULO-SKELETAL SYSTEM ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS Acetic acid derivatives and related substances |
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D000894 | Anti-Inflammatory Agents, Non-Steroidal |
| MeSH PA | D018373 | Peripheral Nervous System Agents |
| MeSH PA | D018501 | Antirheumatic Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D018712 | Analgesics, Non-Narcotic |
| CHEBI has role | CHEBI:35475 | non-steroidal anti-inflammatory drug |
| CHEBI has role | CHEBI:35481 | non-narcotic analgesic |
| CHEBI has role | CHEBI:35493 | antipyretic |
| CHEBI has role | CHEBI:35544 | EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor |
| CHEBI has role | CHEBI:35856 | lipoxygenase inhibitor |
| CHEBI has role | CHEBI:50266 | prodrug |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Arthritis | indication | 3723001 | DOID:848 |
| Rheumatoid arthritis | indication | 69896004 | DOID:7148 |
| Osteoarthritis | indication | 396275006 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.79 | acidic |
| pKa2 | 7.78 | Basic |
| pKa3 | 3.78 | Basic |
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| ID | Source |
|---|---|
| D08427 | KEGG_DRUG |
| C0072315 | UMLSCUI |
| CHEBI:76263 | CHEBI |
| CHEMBL2105825 | ChEMBL_ID |
| DB13527 | DRUGBANK_ID |
| C019541 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3977 | INN_ID |
| FV919079LU | UNII |
| 4921 | PUBCHEM_CID |
| 34769 | RXNORM |
| 006461 | NDDF |
| 006462 | NDDF |
| 703571004 | SNOMEDCT_US |
| 703572006 | SNOMEDCT_US |
| 59209-40-4 | SECONDARY_CAS_RN |
| FV919079LU | INXIGHT DRUGS |
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